Batabulin
Batabulin structure
|
Common Name | Batabulin | ||
|---|---|---|---|---|
| CAS Number | 195533-53-0 | Molecular Weight | 371.25500 | |
| Density | 1.629g/cm3 | Boiling Point | 403.3ºC at 760mmHg | |
| Molecular Formula | C13H7F6NO3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 197.7ºC | |
Use of BatabulinBatabulin (T138067) is an antitumor agent, which binds covalently and selectively to a subset of the β-tubulin isotypes, thereby disrupting microtubule polymerization. Batabulin affects cell morphology and leads to cell-cycle arrest ultimately induce apoptotic cell death. Batabulin has efficacy against multidrug-resistant (MDR) tumors[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Batabulin (T138067) is an antitumor agent, which binds covalently and selectively to a subset of the β-tubulin isotypes, thereby disrupting microtubule polymerization. Batabulin affects cell morphology and leads to cell-cycle arrest ultimately induce apoptotic cell death. Batabulin has efficacy against multidrug-resistant (MDR) tumors[1]. |
|---|---|
| Related Catalog | |
| Target |
β-tubulin[1] |
| In Vitro | Batabulin (T138067; 30-300 nM; 24 hours; MCF7 cells) treatment shows approximately 25-30% tetraploid (4n) DNA content in cells, indicating an arrest at the G2/M cell-cycle boundary[1]. Batabulin (T138067; 30-300 nM; 24-48 hours; MCF7 cells) treatment shows 25-30% apoptosis. After a 48-hr exposure to 100 nM Batabulin, approximately 50-80% of the cell population is undergoing apoptosis[1]. Batabulin (T138067) binds covalently and selectively to a subset of the β-tubulin isotypes, thereby disrupting microtubule polymerization. Covalent modification occurs at a conserved Cys-239 shared by the β1, β2, and β4 tubulin isotypes. Cells exposed to Batabulin become altered in shape, indicating a collapse of the cytoskeleton, and show an increase in chromosomal ploidy[1]. Cell Cycle Analysis[1] Cell Line: MCF7 cells Concentration: 30 nM, 100 nM and 300 nM Incubation Time: 24 hours Result: Showed an arrest at the G2/M cell-cycle boundary. Apoptosis Analysis[1] Cell Line: MCF7 cells Concentration: 30 nM, 100 nM and 300 nM Incubation Time: 24 hours or 48 hours Result: 25-30% of cells showed the reduced DNA content characteristic of apoptotic cells. |
| In Vivo | Batabulin (T138067; 40 mg/kg; intraperitoneal injection; once per week; on days 5, 12, and 19; male athymic nude mice) treatment impairs the growth of the drug-sensitive CCRF-CEM tumors[1]. Animal Model: Male athymic nude mice (nu/nu) (6-8 week-old, 20-25 g) injected withCCRF-CEM cells[1] Dosage: 40 mg/kg Administration: Intraperitoneal injection; once per week; on days 5, 12, and 19 Result: Impaired the growth of the drug-sensitive CCRF-CEM tumors. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.629g/cm3 |
|---|---|
| Boiling Point | 403.3ºC at 760mmHg |
| Molecular Formula | C13H7F6NO3S |
| Molecular Weight | 371.25500 |
| Flash Point | 197.7ºC |
| Exact Mass | 371.00500 |
| PSA | 63.78000 |
| LogP | 4.48440 |
| Vapour Pressure | 1.03E-06mmHg at 25°C |
| Index of Refraction | 1.535 |
| InChIKey | ROZCIVXTLACYNY-UHFFFAOYSA-N |
| SMILES | COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Batabulin [INN] |
| 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzene sulfonamide |
| Batabulin (USAN/INN) |
| Batabulin [USAN] |
| Batabulin |
| 2-fluoro-1-methoxy-4-pentafluorophenyl-sulfonamidobenzene |
| N-(3-fluoro-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide |
| T67 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: The English name of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide. |
| Q: What is the LogP of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: LogP of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is 4.48440. |
| Q: What is the CAS number of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: CAS number of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is 195533-53-0. |
| Q: What is the SMILES notation of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: SMILES notation of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F. |
| Q: What is the Chinese name of 195533-53-0? |
| A: Chinese name of 195533-53-0 is Batabulin. |
| Q: What is the molecular formula of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: Molecular formula of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is C13H7F6NO3S. |
| Q: What are the upstream materials of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: Related upstream materials(CAS) of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide: 832-53-1;366-99-4. |
| Q: What is the polar surface area (PSA) of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: Polar surface area (PSA) of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is 63.78000. |
| Q: What is the boiling point of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: Boiling point of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is 403.3ºC at 760mmHg. |
| Q: What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide? |
| A: InChIKey of 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is ROZCIVXTLACYNY-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |